Aspects to be considered for the development of a correlation algorithm for condensed phase equilibrium data of ternary systems / A. Marcilla in Industrial & engineering chemistry research, Vol. 49 N° 20 (Octobre 2010)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 49 N° 20 (Octobre 2010) . - pp. 10100–10110 Titre : Aspects to be considered for the development of a correlation algorithm for condensed phase equilibrium data of ternary systems Type de document : texte imprimé Auteurs : A. Marcilla, Auteur ; M. M. Olaya, Auteur ; M. D. Serrano, Auteur Année de publication : 2011 Article en page(s) : pp. 10100–10110 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Phase equilibrium Ternary systems Résumé : The existing commercial software packages for equilibrium data correlation, or analogous tools included in chemical process simulators, have been widely used and their extensive capabilities are well-known. Nevertheless, and as far as LLE calculations are concerned, they have been designed for the simplest equilibrium behavior. For example, for ternary systems, only the correlation of type 1 and type 2 LLE data is possible. None of these applications allows for the correlation of type 0 LLE, type 3 LLLE, or type 4 LLSE systems, although these are interesting for many industrial purposes. To enable a possible extension of such software, a robust computation algorithm has been developed to correlate phase equilibrium data among condensed phases for all of these more complicated behaviors. Moreover, this algorithm includes some new strategies to avoid the main problems occurring through correlation procedures, which lead to convergence problems or inconsistent results. These strategies are explained in detail in the present work. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1010383 [article] Aspects to be considered for the development of a correlation algorithm for condensed phase equilibrium data of ternary systems [texte imprimé] / A. Marcilla, Auteur ; M. M. Olaya, Auteur ; M. D. Serrano, Auteur . - 2011 . - pp. 10100–10110. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 20 (Octobre 2010) . - pp. 10100–10110 Mots-clés : Phase equilibrium Ternary systems Résumé : The existing commercial software packages for equilibrium data correlation, or analogous tools included in chemical process simulators, have been widely used and their extensive capabilities are well-known. Nevertheless, and as far as LLE calculations are concerned, they have been designed for the simplest equilibrium behavior. For example, for ternary systems, only the correlation of type 1 and type 2 LLE data is possible. None of these applications allows for the correlation of type 0 LLE, type 3 LLLE, or type 4 LLSE systems, although these are interesting for many industrial purposes. To enable a possible extension of such software, a robust computation algorithm has been developed to correlate phase equilibrium data among condensed phases for all of these more complicated behaviors. Moreover, this algorithm includes some new strategies to avoid the main problems occurring through correlation procedures, which lead to convergence problems or inconsistent results. These strategies are explained in detail in the present work. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1010383

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Liquid — vapor equilibrium data correlation / A. Marcilla in Industrial & engineering chemistry research, Vol. 50 N° 7 (Avril 2011)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4077-4085 Titre : Liquid — vapor equilibrium data correlation : part I. pitfalls and some ideas to overcome them Type de document : texte imprimé Auteurs : A. Marcilla, Auteur ; M. M. Olaya, Auteur ; M. D. Serrano, Auteur Année de publication : 2011 Article en page(s) : pp. 4077-4085 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Correlation analysis Phase equilibrium Liquid vapor Résumé : Accurate description of VLE (and VLLE) plays an essential role in many industrial separation processes. Local composition models for the activity coefficient description, such as NRTL and UNIQUAC, have contributed significantly over the past four decades toward the fitting of experimental VLE data, for example, to the design of distillation towers. However, a critical examination of this field reveals that important deficiencies still exist due to the complex nature of the topic. In the present paper, these pitfalls are classified and discussed in detail, and some examples are selected to conveniently illustrate every one of them. We also comment on some aspects that could improve the distribution, evaluation and correlation of these VLE (and VLLE) data that, in turn, could lead to better results and avoid misinterpretations. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24027655 [article] Liquid — vapor equilibrium data correlation : part I. pitfalls and some ideas to overcome them [texte imprimé] / A. Marcilla, Auteur ; M. M. Olaya, Auteur ; M. D. Serrano, Auteur . - 2011 . - pp. 4077-4085. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4077-4085 Mots-clés : Correlation analysis Phase equilibrium Liquid vapor Résumé : Accurate description of VLE (and VLLE) plays an essential role in many industrial separation processes. Local composition models for the activity coefficient description, such as NRTL and UNIQUAC, have contributed significantly over the past four decades toward the fitting of experimental VLE data, for example, to the design of distillation towers. However, a critical examination of this field reveals that important deficiencies still exist due to the complex nature of the topic. In the present paper, these pitfalls are classified and discussed in detail, and some examples are selected to conveniently illustrate every one of them. We also comment on some aspects that could improve the distribution, evaluation and correlation of these VLE (and VLLE) data that, in turn, could lead to better results and avoid misinterpretations. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24027655

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